NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 F 4.8249 8.3249 119.4815 56.4187 40.2148 174.6099 6 P 4.3877 0.0000 0.0000 60.9029 31.8041 174.6951 7 T 4.3202 8.5704 113.4331 62.7591 71.8434 173.9466 8 R 5.0962 7.9981 123.3860 54.3979 32.2914 175.1267 9 V 4.6325 8.8600 126.1518 61.1162 34.7565 173.4890 10 Y 5.0720 8.6867 125.2468 56.2290 40.6471 174.5405 11 L 4.5605 9.4206 126.3864 53.2092 43.6275 175.3607 12 L 5.3402 9.0028 127.2346 52.3024 44.5171 175.3297 13 R 4.7513 8.7503 127.1660 55.3539 31.4836 175.0462 14 H 4.4941 8.7175 120.6718 56.3643 29.6580 174.7593 15 A 4.5511 8.2747 122.2924 50.6014 20.6544 176.7824 16 K 4.0029 9.0942 120.1326 57.2550 32.8054 176.1945 17 A 4.9066 8.6783 128.9536 50.6781 20.1258 176.5950 18 A 4.0459 8.4334 122.1025 51.8304 19.2045 177.9667 19 W 4.5820 8.2973 118.6905 56.0010 30.0458 176.6828 20 A 4.1218 8.6697 123.8659 52.2396 18.6098 176.8965 21 A 4.6647 8.4030 124.3823 49.4254 20.6909 174.3024 22 P 4.2740 0.0000 0.0000 64.9564 31.7279 174.3252 23 G 4.2399 9.2946 112.0068 45.6005 0.0000 173.3991 24 E 4.4663 7.8515 117.6642 54.7350 31.1012 175.9373 25 R 4.3080 8.2470 119.7995 55.4893 31.2071 177.2492 26 D 4.3942 9.2063 122.9086 57.6437 41.7427 178.1681 27 F 3.5827 8.0675 120.6669 60.8614 39.5368 175.9751 28 D 4.5419 8.1517 117.4216 53.7425 41.1856 176.0714 29 R 3.9700 7.9555 121.5715 56.5650 30.3749 175.6526 30 G 4.2548 8.2217 116.5140 44.6268 0.0000 171.9431 31 L 4.5480 10.1913 119.6930 54.5895 42.4865 177.1033 32 N 4.8028 8.2066 118.8430 51.3196 39.8398 175.5963 33 E 4.1205 8.9423 116.5913 59.7485 29.3443 179.3469 34 A 4.1030 8.1173 120.0911 55.1807 18.5081 179.4069 35 G 4.0937 8.0203 104.8672 47.6675 0.0000 175.4590 36 F 4.2946 8.3190 120.8008 59.9511 38.8671 177.9577 37 A 4.0989 7.9005 120.3114 55.2000 18.5458 179.5598 38 E 4.0640 8.3931 115.4494 58.8073 29.6032 179.1982 39 A 4.0435 8.1722 122.4871 55.2552 18.5761 178.9269 40 E 3.8635 7.9190 117.7496 59.5905 29.5433 179.2731 41 I 3.6429 7.7110 119.4696 64.5136 37.2760 178.5062 42 I 3.6530 7.6499 119.9748 64.0846 36.8918 178.0298 43 A 2.7411 8.0534 122.0950 55.2617 17.9986 179.5428 44 D 4.0026 7.7390 116.8542 56.9205 40.9946 178.5649 45 L 3.9922 8.0687 121.1091 58.2573 42.0493 178.8971 46 A 4.0257 8.2498 120.5087 55.2360 18.2781 179.5337 47 A 3.4613 7.7153 119.1623 55.0358 18.0745 179.4389 48 D 4.2029 7.8426 116.5663 57.2080 41.4909 178.6036 49 R 4.1328 7.0959 114.3433 54.7115 30.3306 176.3742 50 R 3.9185 7.4849 116.3315 57.5381 28.2671 177.3767 51 Y 5.0624 7.5332 116.0643 56.4044 36.0259 173.2073 52 R 4.2505 8.2057 121.0565 53.3969 32.0144 173.7319 53 P 5.3311 0.0000 0.0000 61.4662 32.8860 175.9347 54 D 4.5149 8.6446 120.2028 56.9682 41.8090 176.1615 55 L 4.9258 7.7791 119.4257 53.1169 45.7560 174.7410 56 I 4.4175 8.5653 126.8746 59.5144 39.7507 174.3922 57 L 4.8297 8.1901 127.4841 53.1145 43.5859 175.4546 58 S 4.9660 8.4993 119.1679 55.9160 65.6686 173.4498 59 S 4.8554 8.6378 121.2056 59.1147 62.7559 173.4189 60 T 4.4336 8.6279 114.0932 61.6936 68.8881 174.6671 61 A 3.1312 7.8250 123.1458 52.3395 19.9548 177.5958 62 A 3.7143 8.4238 126.7908 55.5535 18.4911 180.8514 63 R 3.7815 7.7772 113.4796 59.2628 29.4472 178.7861 64 C 4.0863 7.8458 117.1950 62.6424 28.3591 175.5397 65 R 4.1240 7.6816 119.2435 59.8786 29.5027 179.1649 66 Q 4.5139 7.8871 117.2298 58.6170 28.8349 178.4245 67 T 4.1144 7.9823 116.8681 67.2388 68.6627 176.7656 68 T 3.9533 8.3922 117.8761 66.5934 68.2886 176.9560 69 Q 4.1894 8.6704 120.1270 58.6193 28.7561 178.8205 70 A 4.1409 7.9413 122.4028 54.9944 18.4771 179.7251 71 W 4.2091 8.6451 117.0715 59.8038 28.8245 178.0780 72 Q 4.1909 8.3360 119.4523 59.2028 28.0919 178.5447 73 R 4.2447 7.7481 116.7483 57.7392 30.8606 178.0735 74 A 4.0082 8.0518 118.6056 53.6035 18.5688 177.6012 75 F 4.4828 7.7380 112.6041 56.1362 41.4810 174.8280 76 N 4.0333 7.7144 118.0692 54.5290 37.4681 174.4413 *78 G 4.0775 7.8509 103.9423 46.3312 0.0000 173.9809 79 I 4.1256 7.8746 119.9104 61.2658 38.6344 174.8886 80 D 4.8160 8.2875 121.5997 52.8586 42.8326 174.9960 81 I 4.6924 8.3475 126.7758 59.5313 39.8570 175.0675 82 V 4.3356 8.8627 127.6709 61.0788 34.3967 173.7488 83 Y 5.0501 8.6166 124.9365 56.5568 39.3836 175.0507 84 I 4.4121 8.5136 126.0351 59.4731 39.0757 176.3140 85 D 4.5946 9.2705 128.1531 57.7602 41.3104 178.0928 86 E 4.2142 7.3942 118.9229 55.8775 28.2785 176.9865 *88 Y 4.4378 7.4799 118.2405 58.5120 40.3681 173.8736 89 N 3.7850 8.3838 125.0004 54.0025 35.1088 172.5094 90 A 4.6979 7.3489 120.5592 50.2011 22.5703 176.1144 91 R 4.3983 7.7642 117.9876 55.1188 32.7430 177.4838 92 S 3.9991 8.2912 113.0989 61.7803 62.8018 176.0860 93 E 3.9367 8.2536 121.0390 59.9091 28.9529 179.3962 94 T 3.8527 7.5356 111.6973 65.3866 67.5075 175.9622 95 Y 4.2672 7.9284 118.1316 61.1003 38.0158 178.2141 96 L 3.9909 7.9084 119.8138 58.2408 41.4795 179.8599 97 S 4.2065 8.0770 114.6684 61.6386 62.4594 176.7946 98 L 4.1066 7.4662 120.9661 57.5481 41.7434 178.9301 99 I 3.7587 7.9000 120.0248 64.2822 36.8781 178.2198 100 A 4.1494 8.2309 121.6790 54.9529 18.3353 179.2074 101 A 4.1621 7.6119 118.4776 54.1441 19.8525 178.3919 102 Q 4.3584 7.8068 119.1229 55.0635 27.2074 176.4624 103 T 4.2766 7.8489 109.1539 62.8814 69.9806 175.9714 104 E 4.9923 8.1016 120.4553 56.2007 30.3456 175.7065 105 V 4.3495 7.5671 118.9970 62.0968 34.4178 175.5329 106 Q 2.5200 8.5545 128.6426 58.0441 30.1754 175.6539 107 S 5.7844 8.9550 113.3719 55.6243 66.4859 173.7223 108 V 5.2796 7.6558 121.5746 59.1688 35.1008 173.2607 *110 L 4.2197 8.3500 118.1832 55.0785 43.4600 176.0235 111 V 4.4481 8.0612 123.6574 61.5289 33.6925 174.6077 112 G 4.5108 8.7484 115.5330 46.3285 0.0000 170.9826 113 H 5.4512 8.6174 116.3312 53.8884 31.1372 174.3536 114 N 4.5420 8.4587 119.1036 52.6326 39.3278 173.6183 115 P 4.5808 0.0000 0.0000 63.5930 31.9579 178.1871 116 T 3.7723 7.3410 113.2064 64.6037 67.7976 175.6190 *118 E 4.2524 8.3177 124.5503 56.2487 31.4388 177.7262 119 A 4.0983 8.3455 120.5109 54.8508 18.0392 179.8415 120 T 3.7354 7.8140 114.2955 66.8103 68.6457 176.2164 121 L 4.0737 7.8170 120.3265 58.1314 42.4917 178.1276 122 E 4.1159 8.3150 119.1473 58.7299 29.2982 177.5556 123 A 4.0875 7.6690 119.8897 52.5494 19.2212 178.3268 *125 I 4.0272 7.8823 116.4458 61.1278 39.8618 176.0819 126 G 4.0131 8.0161 106.8316 44.7278 0.0000 174.1754 127 E 4.0014 8.6332 116.8181 59.2496 29.7399 178.3587 128 D 4.3610 8.1596 119.2489 57.6126 40.8831 178.7079 129 L 3.9789 7.8926 118.4755 57.6949 41.2212 179.2754 130 L 3.8463 7.6595 119.7457 58.6838 41.9333 178.7849 131 H 4.7247 8.6362 115.8588 57.1832 28.7537 177.5206 132 A 4.0885 7.9455 122.4372 55.2874 18.3896 179.2531 133 A 4.2793 8.1288 118.0607 53.4214 19.1751 177.4069 134 L 4.3737 8.9175 117.5624 52.2388 43.1107 175.6331 135 P 4.2396 0.0000 0.0000 65.4753 31.5619 178.0772 136 S 4.4761 7.9804 109.2297 58.0596 63.6109 174.9739 137 G 3.7663 7.8709 107.2548 44.6231 0.0000 172.3766 138 F 4.2750 8.5753 124.1446 56.7133 39.7428 175.1208 139 P 4.6805 0.0000 0.0000 61.8563 32.1082 175.8851 140 T 4.2502 8.3066 110.2034 62.5651 69.0533 174.0463 141 S 3.9443 8.8507 118.9087 59.0974 61.6284 171.5032 142 G 3.9203 8.0106 105.2939 45.4994 0.0000 173.1241 143 L 5.1211 8.3833 125.3717 52.8822 44.8564 174.8864 144 A 4.6921 8.8363 128.9639 50.5630 21.3998 175.7928 145 V 4.5673 8.1724 121.4286 61.0065 34.3098 174.3587 146 L 5.4217 9.1615 128.4733 53.0810 45.6212 175.3369 147 D 5.8500 8.9074 122.5135 51.5202 44.0589 175.8145 148 Q 3.1166 8.6773 121.1535 56.5937 28.6716 174.7621 149 D 4.3204 8.7442 123.5657 55.6527 43.0791 176.8908 *158 R 4.2675 7.6987 117.1753 55.4265 32.8518 175.1306 159 W 5.5439 8.1108 115.3883 54.8235 33.2405 174.9691 160 R 4.6744 9.5728 121.8875 54.3763 32.6098 174.6563 161 L 4.9825 8.7504 126.7754 54.2568 42.0441 175.6114 162 I 4.4372 8.3112 120.3027 61.5280 39.2284 175.1287 163 D 4.8344 7.7745 120.8538 53.2734 44.8904 173.8557 164 F 5.3831 8.5038 124.8596 56.5719 42.2877 173.2482 165 L 4.7123 8.3853 126.4772 53.6092 43.3171 176.0398 166 A 4.8998 8.6382 125.2654 49.3017 22.3898 174.5911 167 P 4.4100 0.0000 0.0000 63.0921 31.5793 176.8025 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 F 8.32 4.82 0.00 2.90 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.39 0.00 2.20 1.95 0.00 3.83 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 7 T 8.57 4.32 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 8 R 8.00 5.10 0.00 1.81 1.66 0.00 2.64 0.00 0.00 2.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.11 0.00 9 V 8.86 4.63 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.38 0.00 0.00 10 Y 8.69 5.07 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 9.42 4.56 0.00 1.70 1.58 0.92 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.00 5.34 0.00 1.43 1.35 1.17 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.75 4.75 0.00 1.74 2.03 0.00 3.44 0.00 0.00 3.47 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 14 H 8.72 4.49 0.00 3.36 3.38 0.00 5.31 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.27 4.55 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 9.09 4.00 0.00 1.99 1.74 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.49 7.81 17 A 8.68 4.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.43 4.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.30 4.58 0.00 3.42 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.67 4.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.40 4.66 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.27 0.00 2.07 2.10 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 23 G 9.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.85 4.47 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 25 R 8.25 4.31 0.00 2.14 1.96 0.00 3.19 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 26 D 9.21 4.39 0.00 2.85 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.07 3.58 0.00 2.93 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.15 4.54 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.96 3.97 0.00 1.87 2.00 0.00 3.31 0.00 0.00 3.46 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 30 G 8.22 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 10.19 4.55 0.00 0.27 0.92 0.47 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.21 4.80 0.00 2.81 2.86 0.00 0.00 6.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.94 4.12 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 34 A 8.12 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.32 4.29 0.00 3.24 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.90 4.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.39 4.06 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 39 A 8.17 4.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.92 3.86 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 41 I 7.71 3.64 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.38 0.90 0.00 0.00 42 I 7.65 3.65 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.02 1.10 0.00 0.00 43 A 8.05 2.74 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.74 4.00 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.07 3.99 0.00 1.74 1.75 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.25 4.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.72 3.46 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.84 4.20 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.10 4.13 0.00 1.29 0.88 0.00 3.39 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 50 R 7.48 3.92 0.00 1.92 2.04 0.00 3.33 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 51 Y 7.53 5.06 0.00 3.11 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.21 4.25 0.00 2.16 1.97 0.00 3.51 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 53 P 0.00 5.33 0.00 2.27 2.05 0.00 2.99 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 54 D 8.64 4.51 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.78 4.93 0.00 1.66 1.38 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.57 4.42 1.63 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.45 0.57 0.00 0.00 57 L 8.19 4.83 0.00 1.39 1.42 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.50 4.97 0.00 3.51 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.64 4.86 0.00 4.09 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.63 4.43 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 61 A 7.82 3.13 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.42 3.71 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.78 3.78 0.00 1.96 2.00 0.00 2.88 0.00 0.00 3.50 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 0.00 64 C 7.85 4.09 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.68 4.12 0.00 1.95 1.91 0.00 2.85 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.56 0.00 66 Q 7.89 4.51 0.00 1.91 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 67 T 7.98 4.11 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 68 T 8.39 3.95 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 69 Q 8.67 4.19 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 70 A 7.94 4.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 W 8.65 4.21 0.00 3.52 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.34 4.19 0.00 2.44 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 73 R 7.75 4.24 0.00 2.01 1.96 0.00 3.23 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 74 A 8.05 4.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.74 4.48 0.00 3.17 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 7.71 4.03 0.00 2.80 2.83 0.00 0.00 7.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *78 G 7.85 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.87 4.13 1.81 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.87 0.00 0.00 80 D 8.29 4.82 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.35 4.69 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.70 0.62 0.00 0.00 82 V 8.86 4.34 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.89 0.00 0.00 83 Y 8.62 5.05 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.51 4.41 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.96 0.00 0.00 85 D 9.27 4.59 0.00 2.70 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.39 4.21 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 *88 Y 7.48 4.44 0.00 3.08 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.38 3.79 0.00 2.61 2.62 0.00 0.00 6.89 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.35 4.70 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.76 4.40 0.00 1.75 1.80 0.00 3.20 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 92 S 8.29 4.00 0.00 3.78 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.25 3.94 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 94 T 7.54 3.85 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 95 Y 7.93 4.27 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.91 3.99 0.00 1.74 1.76 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.08 4.21 0.00 4.09 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.47 4.11 0.00 1.76 1.67 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.90 3.76 2.06 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.01 0.93 0.00 0.00 100 A 8.23 4.15 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.61 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.81 4.36 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 103 T 7.85 4.28 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 104 E 8.10 4.99 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 105 V 7.57 4.35 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 106 Q 8.55 2.52 0.00 1.77 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.25 1.85 0.00 107 S 8.96 5.78 0.00 3.84 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.66 5.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.83 0.00 0.00 *110 L 8.35 4.22 0.00 1.36 1.17 0.75 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.06 4.45 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.56 0.00 0.00 112 G 8.75 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.62 5.45 0.00 3.17 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.46 4.54 0.00 2.74 2.75 0.00 0.00 6.97 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.58 0.00 2.17 2.24 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 116 T 7.34 3.77 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 *118 E 8.32 4.25 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 119 A 8.35 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 7.81 3.74 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 121 L 7.82 4.07 0.00 1.77 2.01 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.32 4.12 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 123 A 7.67 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 I 7.88 4.03 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.66 0.97 0.00 0.00 126 G 8.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.63 4.00 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 128 D 8.16 4.36 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.89 3.98 0.00 1.69 1.73 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.66 3.85 0.00 1.90 1.78 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.64 4.72 0.00 3.14 3.30 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.95 4.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.13 4.28 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.92 4.37 0.00 1.58 1.46 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.24 0.00 2.01 2.08 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 136 S 7.98 4.48 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.58 4.28 0.00 3.23 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.68 0.00 2.35 2.03 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.08 0.00 140 T 8.31 4.25 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 141 S 8.85 3.94 0.00 4.11 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.38 5.12 0.00 1.77 1.40 0.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.84 4.69 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.17 4.57 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.57 0.00 0.00 146 L 9.16 5.42 0.00 1.20 1.55 0.78 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.91 5.85 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 8.68 3.12 0.00 1.62 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.91 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.00 149 D 8.74 4.32 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 R 7.70 4.27 0.00 1.95 1.97 0.00 3.20 0.00 0.00 3.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.51 0.00 159 W 8.11 5.54 0.00 3.16 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 9.57 4.67 0.00 1.86 1.86 0.00 3.13 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 161 L 8.75 4.98 0.00 1.69 1.64 1.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.31 4.44 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.80 0.95 0.00 0.00 163 D 7.77 4.83 0.00 2.79 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 F 8.50 5.38 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.39 4.71 0.00 1.66 1.63 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.64 4.90 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.41 0.00 2.10 2.01 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.